N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide

C8H11IN4O — CID 137095207

IUPACN'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCc1nc(N=CN(C)C)[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O/c1-5-6(9)7(14)12-8(11-5)10-4-13(2)3/h4H,1-3H3,(H,11,12,14)
InChIKeyFEHZLJUGVDHTSX-UHFFFAOYSA-N
MW306.11 g/mol
LogP0.90
Rot. Bonds2

About N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide

N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 137095207) has the molecular formula C8H11IN4O and a molecular weight of 306.11 g/mol. Its IUPAC name is N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID137095207
Molecular FormulaC8H11IN4O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC NameN'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCc1nc(N=CN(C)C)[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O/c1-5-6(9)7(14)12-8(11-5)10-4-13(2)3/h4H,1-3H3,(H,11,12,14)
InChIKeyFEHZLJUGVDHTSX-UHFFFAOYSA-N
XLogP0.90
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-iodo-6-methyl-4-pyrimidinol
CID 135480614
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
CID 135845994
2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-1,1-dimethyl-guanidine
CID 135428300
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
CID 135478681
N'-(3-amino-5-iodo-6-oxo-1H-pyridin-2-yl)-N,N-dimethylmethanimidamide
CID 68206460
N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 136201881
2-Amino-5-iodo-3,6-dimethylpyrimidin-4-one
CID 130154408
2-[(Dimethylamino)methyleneamino]-6-methylpyrimidin-4-one
CID 135489992
(E)-N,N-dimethyl-N'-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methanimidamide
CID 135549976
2-(dimethylamino)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136225224
2-(dimethylamino)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136225568
5-iodo-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 136225794

Frequently Asked Questions

What is the IUPAC name of N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide (CID 137095207) is N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide is Cc1nc(N=CN(C)C)[nH]c(=O)c1I.
What is the InChIKey of N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is FEHZLJUGVDHTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O/c1-5-6(9)7(14)12-8(11-5)10-4-13(2)3/h4H,1-3H3,(H,11,12,14).
What are the key properties of N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide?
N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 306.11 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 137095207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).